Molecule

ID:68470

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-2-7(1)9-5-3-8-4-6-9/h7-8H,1-6H2
InChIKey
HNZJIWIXRPBFAN-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C1CC1
Isomeric Smiles
N1(CCNCC1)C1CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2888274
LogD (pH = 7.4)
-1.9382324
Log P
0.11980564
Molar Refractivity
37.9547
Polarizability
15.227027
Polar Surface Area
15.27
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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